N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide

• ChemBase ID: 724070
• Molecular Formular: C18H22N6O
• Molecular Mass: 338.40688
• Monoisotopic Mass: 338.18550935
• SMILES: c12n(c(cn1)CNC(=O)CCc1nn3c(c1)CNCC3)cccc2C
• Canonical SMILES: O=C(NCc1cnc2n1cccc2C)CCc1nn2c(c1)CNCC2
• InChI: InChI=1S/C18H22N6O/c1-13-3-2-7-23-16(12-21-18(13)23)11-20-17(25)5-4-14-9-15-10-19-6-8-24(15)22-14/h2-3,7,9,12,19H,4-6,8,10-11H2,1H3,(H,20,25)
• InChIKey: HFUFBMRKTYORFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.252249
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.8499641
• LogD (pH = 7.4): -0.45749995
• Log P: 0.025096491
• Molar Refractivity: 107.7313 cm^3
• Polarizability: 36.26575 Å^3
• Polar Surface Area: 76.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.45
• LOG S: -2.59
• Polar Surface Area: 76.25 Å^2
• Rotatable Bonds: 5